smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(/C=C2\CCC/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000003301237	204088707	/nfs/dbraw/zinc/08/87/07/204088707.db2.gz	YVIZFBNYAKEZDA-MGYAYREDSA-N	-2	0	362.381	4.303	50	30		FIEARL
CC(=O)[N-]C([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000002344650	204034929	/nfs/dbraw/zinc/03/49/29/204034929.db2.gz	LHZUJPPMZNOVAM-UHFFFAOYSA-N	-2	0	368.199	4.074	50	30		FIEARL
O=C([O-])c1cccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000003115638	204078172	/nfs/dbraw/zinc/07/81/72/204078172.db2.gz	ZSZYFUXVSQRWKU-REZTVBANSA-N	-2	0	354.587	4.257	50	30		FIEARL
Cc1ccc(-c2ccc(/C=N/c3ccc(O)c(C(=O)[O-])c3)o2)cc1C(=O)[O-]	ZINC000004691471	204155135	/nfs/dbraw/zinc/15/51/35/204155135.db2.gz	AYYAWYCXOYGQNN-UFFVCSGVSA-N	-2	0	365.341	4.108	50	30		FIEARL
O=C([O-])c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000006598235	1115926931	/nfs/dbraw/zinc/92/69/31/1115926931.db2.gz	YVIZFBNYAKEZDA-KLCVKJMQSA-N	-2	0	362.381	4.303	50	30		FIEARL
Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(O)c(Br)c1C	ZINC000102417395	222296434	/nfs/dbraw/zinc/29/64/34/222296434.db2.gz	MWAFCZVEILMBLJ-REZTVBANSA-N	-2	0	365.183	4.136	50	30		FIEARL
O=C([O-])Cc1cc(Cl)c([O-])c(C(=O)/C=C/c2ccc(Cl)cc2)c1	ZINC000004528936	219582897	/nfs/dbraw/zinc/58/28/97/219582897.db2.gz	LDDMAUPYCXVLKT-ZZXKWVIFSA-N	-2	0	351.185	4.222	50	30		FIEARL
C=CCc1c([O-])c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1[O-]	ZINC000002389459	571124945	/nfs/dbraw/zinc/12/49/45/571124945.db2.gz	FSYGSBMXRNPJAD-UHFFFAOYSA-N	-2	0	358.393	4.288	50	30		FIEARL
O=C([O-])c1cccc(N=Cc2cc(Br)cc(Cl)c2[O-])c1	ZINC000252643170	571292122	/nfs/dbraw/zinc/29/21/22/571292122.db2.gz	ZSZYFUXVSQRWKU-UHFFFAOYSA-N	-2	0	354.587	4.257	50	30		FIEARL